diff --git a/eigen/lodpot.f90 b/eigen/lodpot.f90 index 7caa860c6b94336f332aa348218bf445fe7bcaed..7af390d450cdcb87e01e14b146c31c100282a8e4 100644 --- a/eigen/lodpot.f90 +++ b/eigen/lodpot.f90 @@ -502,6 +502,9 @@ CONTAINS ENDIF ENDIF evac(ivac,jsp) = enpara%evac0(ivac,jsp) + vz0 + IF (input%l_inpXML) THEN + evac(ivac,jsp) = vz(vacuum%nmz,ivac,jsp) + enpara%evac0(ivac,jsp) + END IF attributes = '' WRITE(attributes(1),'(i0)') ivac WRITE(attributes(2),'(i0)') jsp diff --git a/init/inpeig.f90 b/init/inpeig.f90 index 3f6749d7e5356165ec2bc4286a4972976788b9b0..5d8d3e67d5fa52eb7ad6472c3adb0f0ab6f1810a 100644 --- a/init/inpeig.f90 +++ b/init/inpeig.f90 @@ -50,7 +50,7 @@ & atoms,input,jsp,enpara) ENDDO !dimension%jspd CLOSE (40) - ELSE + ELSE IF (.NOT.input%l_inpXML) THEN WRITE(6,*) "No enpara file found, using default values" enpara%el0(0,:,1)=-999999.0 DO n = 1, atoms%ntype diff --git a/io/r_inpXML.F90 b/io/r_inpXML.F90 index c04f1f73cae9c291ae4344469e4cf9edae16aa07..2793b49796c759651cbaafb2af13dd67e4051538 100644 --- a/io/r_inpXML.F90 +++ b/io/r_inpXML.F90 @@ -736,7 +736,7 @@ SUBROUTINE r_inpXML(& vacuum%dvac = cell%z1 a3(3) = dtild enpara%evac0 = eVac0Default_const - xPathB = TRIM(ADJUSTL(xPathA))//'vacuumEnergyParameters' + xPathB = TRIM(ADJUSTL(xPathA))//'/vacuumEnergyParameters' numberNodes = xmlGetNumberOfNodes(xPathB) IF(numberNodes.GE.1) THEN DO i = 1, numberNodes